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MCULE-8702742113
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 109 USD | 97 | 18 working days | Get Quote |
| 5 mg | 109 USD | 97 | 18 working days | Get Quote |
| 10 mg | 109 USD | 97 | 18 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-8702742113.sdf |
| SMILES | MCULE-8702742113.smiles |
| Standard InChI | MCULE-8702742113.inchi |
| InChIKey | MCULE-8702742113.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886660449 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875847846 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869353751 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851751394 | AmBeed | On request | N/A | As is | by synthesis |
| P-875891456 | Angene | Building Blocks in stock | 98 | As is | unavailable |
| P-611130431 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-861392723 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-492219817 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-633712847 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-33964945 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502354413 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 353.221 |
| logP | 2.6299 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 84.09 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 83.8577 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
